| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208995
Max Phase: Preclinical
Molecular Formula: C17H15N2O7P
Molecular Weight: 390.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(OP(=O)(N1CCOC1=O)N1CCOC1=O)c1ccc2ccccc2c1
Standard InChI: InChI=1S/C17H15N2O7P/c20-15(14-6-5-12-3-1-2-4-13(12)11-14)26-27(23,18-7-9-24-16(18)21)19-8-10-25-17(19)22/h1-6,11H,7-10H2
Standard InChI Key: JQQDASGKUSYEGC-UHFFFAOYSA-N
Associated Targets(Human)
Dynamin-1 215 Activities
Associated Targets(non-human)
COS-7 515 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 390.29 | Molecular Weight (Monoisotopic): 390.0617 | AlogP: 3.01 | #Rotatable Bonds: 4 |
| Polar Surface Area: 102.45 | Molecular Species: | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.34 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: -0.34 |
References
| 1. Lee S, Jung KY, Park J, Cho JH, Kim YC, Chang S.. (2010) Synthesis of potent chemical inhibitors of dynamin GTPase., 20 (16): [PMID:20621477] [10.1016/j.bmcl.2010.06.092] |
Source
Source(1):